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DocumentationIdentifier: MM242313
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242313 |
| SMILES |
CCCC(=O)C(C)(O)C#N
|
| InChIKey |
OYPYQPZNZJBKHE-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242314
Similarity: 0.7289
Similarity to MM242314
| Tanimoto metric | 0.7289 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8432 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242366
Similarity: 0.7134
Similarity to MM242366
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8327 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61161
Similarity: 0.6536
Similarity to MM61161
| Tanimoto metric | 0.6536 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.7905 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
